5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid

C15H13ClN2O3 — CID 136794336

IUPAC5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
SMILESCc1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-8-3-4-10(7-13(8)16)17-18-11-5-9(2)14(19)12(6-11)15(20)21/h3-7,19H,1-2H3,(H,20,21)/b18-17+
InChIKeyDDLIMORXJVUFHM-ISLYRVAYSA-N
MW304.73 g/mol
LogP4.78
Rot. Bonds3

About 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid

5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid (PubChem CID 136794336) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
PubChem CID136794336
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
SMILESCc1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-8-3-4-10(7-13(8)16)17-18-11-5-9(2)14(19)12(6-11)15(20)21/h3-7,19H,1-2H3,(H,20,21)/b18-17+
InChIKeyDDLIMORXJVUFHM-ISLYRVAYSA-N
XLogP4.78
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(3-carboxy-4-hydroxy-5-methylphenyl)diazenyl]phthalic acid
CID 174516752
4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid
CID 21276031
5-azido-2-hydroxy-3-methylbenzoic acid
CID 138740982
4-[(3-chloro-4-methylphenyl)diazenyl]aniline
CID 118893788
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
2-carboxy-4-[[4-[4-[(3-carboxy-5-methyl-4-oxidophenyl)diazenyl]phenyl]phenyl]diazenyl]-6-methylphenolate
CID 135503315
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
2-chloro-4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764240
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
sodium 2-carboxy-4-chloro-5-methylbenzoate
CID 169225016
5-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136714793
4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
CID 102029732

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid?
The IUPAC name of 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid (CID 136794336) is 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid is Cc1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid?
The InChIKey is DDLIMORXJVUFHM-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8-3-4-10(7-13(8)16)17-18-11-5-9(2)14(19)12(6-11)15(20)21/h3-7,19H,1-2H3,(H,20,21)/b18-17+.
What are the key properties of 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid?
5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid has a molecular weight of 304.73 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 136794336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).